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LLMs-from-scratch Public
Forked from rasbt/LLMs-from-scratchImplement a ChatGPT-like LLM in PyTorch from scratch, step by step
Jupyter Notebook Other UpdatedNov 18, 2024 -
scikit-mol Public
Forked from EBjerrum/scikit-molscikit-learn classes for molecular vectorization using RDKit
Jupyter Notebook GNU Lesser General Public License v3.0 UpdatedOct 10, 2024 -
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papers-for-molecular-design-using-DL Public
Forked from AspirinCode/papers-for-molecular-design-using-DLList of molecular design using Generative AI and Deep Learning
GNU General Public License v3.0 UpdatedAug 31, 2023 -
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UGM_2022 Public
Forked from rdkit/UGM_2022Materials from the 2022 UGM
Jupyter Notebook UpdatedOct 17, 2022 -
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python-sample-vscode-flask-tutorial Public
Forked from microsoft/python-sample-vscode-flask-tutorialSample code for the Flask tutorial in the VS Code documentation
HTML MIT License UpdatedApr 4, 2022 -
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pyscreener Public
Forked from coleygroup/pyscreenerpythonic interface to virtual screening software
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FC17
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Enable cheminformatics and quantum chemistry
Python MIT License UpdatedOct 14, 2021 -
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aaas Public
Forked from PSI-Polska/aaasKotlin GNU Lesser General Public License v3.0 UpdatedMar 11, 2021 -
Deep-Drug-Coder Public
Forked from pcko1/Deep-Drug-CoderA tensorflow.keras generative neural network for de novo drug design, published in Nature Machine Intelligence while working at AstraZeneca.
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100days Public
Forked from coells/100days100 days of algorithms
Jupyter Notebook UpdatedOct 14, 2020 -
cookiecutter-data-science Public
Forked from drivendataorg/cookiecutter-data-scienceA logical, reasonably standardized, but flexible project structure for doing and sharing data science work.
Python MIT License UpdatedJul 12, 2020 -
hacker-blog Public
Forked from tocttou/hacker-blogHacker-Blog is a minimalistic, responsive jekyll theme built for hackers. https://ashishchaudhary.in/hacker-blog
CSS Creative Commons Zero v1.0 Universal UpdatedJun 22, 2020 -
moses Public
Forked from molecularsets/mosesMolecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Python MIT License UpdatedMay 13, 2020 -
PyBioMed Public
Forked from gadsbyfly/PyBioMedmachine learning, molecular descriptor
Python BSD 3-Clause "New" or "Revised" License UpdatedMar 23, 2020 -
Graph_Convolutional_LSTM Public
Forked from zhiyongc/Graph_Convolutional_LSTMTraffic Graph Convolutional Recurrent Neural Network
Jupyter Notebook MIT License UpdatedDec 11, 2019 -
chemblDocker Public
The ChEMBL database of molecules in a Docker environment
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aws.s3 Public
Forked from cloudyr/aws.s3Amazon Simple Storage Service (S3) API Client
R UpdatedMay 30, 2019 -
smina-code Public
smina: docking program, a private repo taken from: https://git.code.sf.net/p/smina/code
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openforcefield Public
Forked from openforcefield/openff-toolkitThe Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Jupyter Notebook Other UpdatedApr 13, 2019
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